1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione

C20H21NO3 — CID 78781598

IUPAC1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
SMILESCCOc1ccc(C(=O)CCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H21NO3/c1-2-24-17-9-7-16(8-10-17)19(22)11-12-20(23)21-14-13-15-5-3-4-6-18(15)21/h3-10H,2,11-14H2,1H3
InChIKeyVWUXHEXHYMOJDK-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.64
Rot. Bonds6

About 1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione

1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione (PubChem CID 78781598) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
PubChem CID78781598
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
SMILESCCOc1ccc(C(=O)CCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H21NO3/c1-2-24-17-9-7-16(8-10-17)19(22)11-12-20(23)21-14-13-15-5-3-4-6-18(15)21/h3-10H,2,11-14H2,1H3
InChIKeyVWUXHEXHYMOJDK-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(4-ethoxyphenyl)-4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 55438622
N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
CID 108890876
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide
CID 5209302
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 82050319
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
CID 166328690
1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78777689
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione (CID 78781598) is 1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione is CCOc1ccc(C(=O)CCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione?
The InChIKey is VWUXHEXHYMOJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-24-17-9-7-16(8-10-17)19(22)11-12-20(23)21-14-13-15-5-3-4-6-18(15)21/h3-10H,2,11-14H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione?
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione has a molecular weight of 323.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione is sourced from PubChem (CID 78781598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).